%chk=000056812.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000056812 0 1 N 2.620000 -0.7404000 1.9999999E-04 N 1.651500 1.257400 9.9999997E-05 N 4.059500 1.095600 -5.0000002E-04 C -0.7308000 0.3743000 9.9999997E-05 C 0.6841000 0.2746000 0.000000 C 1.270800 -0.9876000 0.000000 C -1.500000 -0.8175000 9.9999997E-05 C 0.5410000 -2.175300 0.000000 C -0.8547000 -2.065400 -9.9999997E-05 C -1.363600 1.631300 9.9999997E-05 C 2.796900 0.6142000 3.0000001E-04 C -2.899400 -0.7103000 -9.9999997E-05 C -2.755400 1.707400 0.000000 C -3.519900 0.5417000 -1.9999999E-04 H 1.027700 -3.144300 0.000000 H -1.442000 -2.982700 -1.9999999E-04 H 3.353100 -1.436900 9.9999997E-05 H -0.7839000 2.551000 0.000000 H -3.521900 -1.602600 -1.9999999E-04 H -3.245400 2.676800 0.000000 H -4.604500 0.6065000 -1.9999999E-04 H 4.246900 2.093100 -6.9999998E-04 H 4.876400 0.4925000 -3.9999999E-04 %chk=000056812-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000056812 0 1 N 2.682205 -0.813461 -0.000155 N 1.697485 1.252696 -0.000168 N 4.111051 1.170387 -0.000237 C -0.721946 0.397934 -0.000101 C 0.702172 0.250136 -0.000132 C 1.288063 -1.046110 -0.000114 C -1.513670 -0.820508 -0.000031 C 0.523562 -2.241527 -0.000043 C -0.869818 -2.110069 -0.000004 C -1.375387 1.669229 -0.000119 C 2.863836 0.578855 -0.000179 C -2.942976 -0.700343 0.000020 C -2.771613 1.746982 -0.000067 C -3.561496 0.553378 0.000000 H 0.995762 -3.230031 -0.000025 H -1.501067 -3.006283 0.000052 H 3.407732 -1.526971 -0.000191 H -0.754053 2.570777 -0.000164 H -3.548745 -1.615119 0.000069 H -3.267409 2.724320 -0.000085 H -4.655037 0.626278 0.000028 H 4.143840 2.185340 -0.000132 H 4.973909 0.637510 0.000178